705780

Source:http://linkedlifedata.com/resource/chembl/compound/705780

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:parent	chemicalCompound:28553
chemicalCompound:standardIn...	InChI=1S/C16H24FNO.ClH/c1-3-9-18(10-4-2)12-5-6-13-14(11-12)16(19)8-7-15(13)17;/h7-8,12,19H,3-6,9-11H2,1-2H3;1H/t12-;/m0./s1
chemicalCompound:standardIn...	FKUVCCNCUAFKAH-YDALLXLXSA-N
chemicalCompound:canonicalS...	Cl.CCCN(CCC)[C@H]1CCc2c(F)ccc(O)c2C1
chemicalCompound:molecularF...	C16H25ClFNO
chemicalCompound:moleculeId	705780
chemicalCompound:mwFreebase	265.366
chemicalCompound:alogp	4.492
chemicalCompound:hba	2
chemicalCompound:hbd	1
chemicalCompound:psa	23.47
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	10.567
chemicalCompound:acdLogP	3.809
chemicalCompound:acdLogD	2.231
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	301.827
chemicalCompound:acdMostBpk...	9.14
chemicalCompound:chemblId	CHEMBL1256788
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:805780
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No
chemicalCompound:activity	activity:3473321, activity:3482655, activity:3483439, activity:3483520, activity:3483601, activity:3483681, activity:3483762, activity:3484545, activity:3636010, activity:3663429, activity:3696328, activity:3974109, activity:4279420, activity:4358677, activity:4411641, activity:4536189, activity:4539020, activity:4715463, activity:4853006, activity:4864338, activity:4970519, activity:5217335, activity:5572076, activity:5784501, activity:5857543, activity:5876743, activity:6783070, activity:7008880, activity:7497097